SCHEMBL21748382

SCHEMBL21748382

CCC(C(=O)O)n1c(=O)n(-c2ccc(C3CNc4nc5ccccc5n43)cc2)c2ncccc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PABPC1 P11940 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 2/20 0.33
OGFRL1 Q5TC84 1/20 0.33
MPO P05164 1/20 0.33
MAPT P10636 1/20 0.33
PDE4B Q07343 1/20 0.32
CMA1 P23946 1/20 0.32
PDE10A Q9Y233 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9981063 0.83 GSR (0.38) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9980973 0.83 FAAH (0.39) KMT2AALDH1A1LMNATP53PDE10A
SCHEMBL9980961 0.82 PDE10A (0.38) KDM4EALDH1A1LMNAPDE4BPDE10A
SCHEMBL9981109 0.81 HRH1 (0.34) KDM4EALDH1A1LMNAMPOPDE4B
SCHEMBL21748380 0.77 CYP1A2 (0.41) POLBMEN1KMT2APABPC1TP53
SCHEMBL9981190 0.75 GABRP (0.45) KDM4EALDH1A1LMNAPDE4BPDE10A
SCHEMBL21748381 0.69 PDE10A (0.40) POLBMEN1KMT2APABPC1CMA1
SCHEMBL9981178 0.66 HRH1 (0.46) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL1701632 0.64 SMN1; SMN2 (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL9980963 0.63 FAAH (0.39) POLBMEN1KMT2APABPC1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585462-B1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2020-02-26 EP disclosed